1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine

C19H20F3NO2S — CID 135031257

IUPAC1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCS(=O)(=O)N1CC(c2ccccc2)(c2ccccc2)CC1CC(F)(F)F
InChIInChI=1S/C19H20F3NO2S/c1-26(24,25)23-14-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)12-17(23)13-19(20,21)22/h2-11,17H,12-14H2,1H3
InChIKeyDQUDFWUQWLWJFY-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.96
Rot. Bonds4

About 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine

1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 135031257) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID135031257
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCS(=O)(=O)N1CC(c2ccccc2)(c2ccccc2)CC1CC(F)(F)F
InChIInChI=1S/C19H20F3NO2S/c1-26(24,25)23-14-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)12-17(23)13-19(20,21)22/h2-11,17H,12-14H2,1H3
InChIKeyDQUDFWUQWLWJFY-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3234248
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CID 138550957
1-(Methylsulfonyl)-3-phenylpyrrolidine
CID 49670457
(2R,5S)-2-ethenyl-5-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 11120290
2-Ethenyl-5-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 85405874
(2S)-2-[(E)-2-phenylethenyl]-1-(trifluoromethylsulfonyl)pyrrolidine
CID 101344878
3-Fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine
CID 122380274
(2S,5S)-2-ethenyl-5-phenyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 134900415
(3S,4S,5R)-3-benzyl-3,5-dimethyl-4-phenyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-one
CID 134951930
4,5-Bis(4-fluorophenyl)-1-methylsulfonyl-2,3,6,7-tetrahydroazepine
CID 135018261
(4S,5R)-4,5-bis(4-fluorophenyl)-1-methylsulfonylazepane
CID 135018360
4-(4-Fluorophenyl)-1-methylsulfonyl-5-phenyl-2,3,6,7-tetrahydroazepine
CID 135018362

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine (CID 135031257) is 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine is CS(=O)(=O)N1CC(c2ccccc2)(c2ccccc2)CC1CC(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is DQUDFWUQWLWJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c1-26(24,25)23-14-18(15-8-4-2-5-9-15,16-10-6-3-7-11-16)12-17(23)13-19(20,21)22/h2-11,17H,12-14H2,1H3.
What are the key properties of 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine?
1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 383.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4,4-diphenyl-2-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 135031257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).